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Manual

  • Installation and versions
  • The workflow · Keep the chemical question in view
  • From model attribution to chemical meaning
  • Command reference
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Surfacia 4.0.0中文

Examples¶

Start with From model attribution to chemical meaning: connect a chemical question to a readable evidence card. Use the two supporting examples only as needed.

  • From model attribution to chemical meaning
  • Case 2 · Sulfur-centered surfaces
  • Case 1 · Descriptor table to predictions and SHAP
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From model attribution to chemical meaning
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